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2168391-80-6 | 3-(chloromethyl)-1,3-dimethylazetidin-2-one
CAS No: 2168391-80-6 Catalog No: AG01FI5R MDL No:
Product Description
Catalog Number:
AG01FI5R
Chemical Name:
3-(chloromethyl)-1,3-dimethylazetidin-2-one
CAS Number:
2168391-80-6
Molecular Formula:
C6H10ClNO
Molecular Weight:
147.6027
IUPAC Name:
3-(chloromethyl)-1,3-dimethylazetidin-2-one
InChI:
InChI=1S/C6H10ClNO/c1-6(3-7)4-8(2)5(6)9/h3-4H2,1-2H3
InChI Key:
PRUVHEIBYOLAAG-UHFFFAOYSA-N
SMILES:
CC1(CCl)CN(C1=O)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.602g/mol
Monoisotopic Mass:
147.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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